SCHEMBL21943705

SCHEMBL21943705

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Oc1nc(-c2cccnc2)nc2c1ncn2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.55
ABL1 P00519 5/20 0.55
KDR P35968 5/20 0.55
SRC P12931 4/20 0.55
MAPK14 Q16539 4/20 0.55
BCR P11274 3/20 0.55
RET P07949 3/20 0.55
AURKA O14965 3/20 0.55
LCK P06239 3/20 0.55
PDGFRB P09619 3/20 0.55
DDR1 Q08345 3/20 0.55
AURKB Q96GD4 3/20 0.55
ESYT2 A0FGR8 2/20 0.55
NBAS A2RRP1 2/20 0.55
CNOT1 A5YKK6 2/20 0.55
TBKBP1 A7MCY6 2/20 0.55
AGPS O00116 2/20 0.55
MYO1F O00160 2/20 0.55
SNAP23 O00161 2/20 0.55
AP3B1 O00203 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21943333 0.94 KDR (0.61) BRAFABL1KDRSRCMAPK14
SCHEMBL21974912 0.90 GGPS1 (0.48) BRAFABL1KDRSRCMAPK14
SCHEMBL21943325 0.90 BRAF (0.52) BRAFABL1KDRSRCMAPK14
SCHEMBL21942934 0.88 BRAF (0.53) BRAFABL1KDRSRCMAPK14
SCHEMBL22024572 0.87 BRAF (0.67) BRAFABL1KDRSRCMAPK14
SCHEMBL21943587 0.86 BRAF (0.70) BRAFABL1KDRSRCMAPK14
SCHEMBL21943499 0.86 KDR (0.59) BRAFABL1KDRSRCMAPK14
SCHEMBL21943752 0.85 MAPK14 (0.54) BRAFABL1KDRSRCMAPK14
SCHEMBL21943539 0.82 BRAF (0.71) BRAFABL1KDRSRCMAPK14
SCHEMBL22025031 0.82 BRAF (0.75) BRAFABL1KDRSRCMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof XIAMEN UNIVERSITY (CN) 2022-05-03 US disclosed
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885ABL1 78/4885KDR 2067/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885ABL1 78/4885KDR 2067/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.